@MOLECULE 3,3-dimethyldecan-5-one 37 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.2604 0.3522 -0.0007 C.3 1 UNL11111111 -0.4412 2 C 4.9412 -0.4200 0.0047 C.3 1 UNL11111111 -0.2494 3 C 3.7412 0.5370 0.0036 C.3 1 UNL11111111 -0.2756 4 C 2.4263 -0.2500 -0.0081 C.3 1 UNL11111111 -0.2509 5 C 1.2217 0.6950 -0.0011 C.3 1 UNL11111111 -0.3928 6 C -0.0766 -0.0851 0.0041 C.2 1 UNL11111111 0.4909 7 O -0.0806 -1.2887 0.0025 O.2 1 UNL11111111 -0.4587 8 C -1.3184 0.7699 0.0139 C.3 1 UNL11111111 -0.4260 9 C -2.6651 -0.0009 -0.0020 C.3 1 UNL11111111 0.1428 10 C -2.7558 -0.8586 -1.2689 C.3 1 UNL11111111 -0.4705 11 C -2.7737 -0.8812 1.2476 C.3 1 UNL11111111 -0.4703 12 C -3.7868 1.0736 -0.0018 C.3 1 UNL11111111 -0.2838 13 C -5.1996 0.4913 0.0071 C.3 1 UNL11111111 -0.4325 14 H 6.3373 1.0229 0.8619 H 1 UNL11111111 0.1414 15 H 7.1182 -0.3288 0.0349 H 1 UNL11111111 0.1415 16 H 6.3637 0.9628 -0.9043 H 1 UNL11111111 0.1413 17 H 4.8921 -1.0880 -0.8764 H 1 UNL11111111 0.1363 18 H 4.8946 -1.0828 0.8898 H 1 UNL11111111 0.1362 19 H 3.7851 1.1955 0.8906 H 1 UNL11111111 0.1344 20 H 3.7946 1.2062 -0.8748 H 1 UNL11111111 0.1345 21 H 2.3791 -0.9133 -0.8944 H 1 UNL11111111 0.1505 22 H 2.3751 -0.9319 0.8639 H 1 UNL11111111 0.1511 23 H 1.2623 1.3607 0.8828 H 1 UNL11111111 0.1621 24 H 1.2547 1.3632 -0.8837 H 1 UNL11111111 0.1621 25 H -1.2905 1.4230 0.9100 H 1 UNL11111111 0.1644 26 H -1.2863 1.4527 -0.8594 H 1 UNL11111111 0.1640 27 H -1.9482 -1.6033 -1.3008 H 1 UNL11111111 0.1693 28 H -3.6978 -1.4153 -1.3086 H 1 UNL11111111 0.1463 29 H -2.6875 -0.2527 -2.1762 H 1 UNL11111111 0.1384 30 H -2.7361 -0.2902 2.1664 H 1 UNL11111111 0.1384 31 H -3.7083 -1.4516 1.2544 H 1 UNL11111111 0.1465 32 H -1.9573 -1.6161 1.2867 H 1 UNL11111111 0.1694 33 H -3.6609 1.7320 0.8784 H 1 UNL11111111 0.1317 34 H -3.6675 1.7236 -0.8891 H 1 UNL11111111 0.1319 35 H -5.9520 1.2877 -0.0092 H 1 UNL11111111 0.1366 36 H -5.3801 -0.1475 -0.8647 H 1 UNL11111111 0.1449 37 H -5.3816 -0.1123 0.9033 H 1 UNL11111111 0.1447 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 1 14 1 14 1 15 1 15 1 16 1 16 2 17 1 17 2 18 1 18 3 19 1 19 3 20 1 20 4 21 1 21 4 22 1 22 5 23 1 23 5 24 1 24 8 25 1 25 8 26 1 26 10 27 1 27 10 28 1 28 10 29 1 29 11 30 1 30 11 31 1 31 11 32 1 32 12 33 1 33 12 34 1 34 13 35 1 35 13 36 1 36 13 37 1